N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide

C17H14N4O3 — CID 136899350

IUPACN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O3/c1-11-14(12-6-2-4-8-15(12)19-11)10-18-20-17(22)13-7-3-5-9-16(13)21(23)24/h2-10,19H,1H3,(H,20,22)/b18-10-
InChIKeyRWYONANQXAQLNK-ZDLGFXPLSA-N
MW322.32 g/mol
LogP3.15
Rot. Bonds4

About N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide

N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide (PubChem CID 136899350) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
PubChem CID136899350
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O3/c1-11-14(12-6-2-4-8-15(12)19-11)10-18-20-17(22)13-7-3-5-9-16(13)21(23)24/h2-10,19H,1H3,(H,20,22)/b18-10-
InChIKeyRWYONANQXAQLNK-ZDLGFXPLSA-N
XLogP3.15
TPSA100.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 2328373
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 136732453
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 135615472
1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine
CID 3284671
1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
CID 135458853
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 3431156
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(E)-[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]-2-nitrobenzamide
CID 135635103

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide (CID 136899350) is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide?
The InChIKey is RWYONANQXAQLNK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-11-14(12-6-2-4-8-15(12)19-11)10-18-20-17(22)13-7-3-5-9-16(13)21(23)24/h2-10,19H,1H3,(H,20,22)/b18-10-.
What are the key properties of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide?
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide has a molecular weight of 322.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 136899350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).